Re: [Rdkit-discuss] runtime error with fingerprints in new release of RDKit

2012-07-24 Thread Gonzalo Colmenarejo-Sanchez
Yep - you were right. Thanks! Gonzalo -Original Message- From: Riccardo Vianello [mailto:riccardo.viane...@gmail.com] Sent: 23 July 2012 11:38 To: Gonzalo Colmenarejo-Sanchez Cc: rdkit-discuss@lists.sourceforge.net Subject: Re: [Rdkit-discuss] runtime error with fingerprints in new

[Rdkit-discuss] runtime error with fingerprints in new release of RDKit

2012-07-23 Thread Gonzalo Colmenarejo-Sanchez
Hi, I'm trying to run a program that calculates a similarity matrix that worked in the previous RDKit release. Now I recompile with the new release: g++ -o tanird tanird.cpp -I$RDBASE/Code -I$RDBASE/Extern -L$RDBASE/lib -lChemReactions -lFileParsers -lSmilesParse -lDepictor -lSubstructMatch

Re: [Rdkit-discuss] runtime error with fingerprints in new release of RDKit

2012-07-23 Thread Riccardo Vianello
Hello, On Mon, Jul 23, 2012 at 10:35 AM, Gonzalo Colmenarejo-Sanchez gonzalo.2.colmenar...@gsk.com wrote: I’m trying to run a program that calculates a similarity matrix that worked in the previous RDKit release. Now I recompile with the new release: g++ -o tanird tanird.cpp -I$RDBASE/Code